SCHEMBL10640451

SCHEMBL10640451

C/C=C/C(=O)OCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NPC1 O15118 1/20 0.51
NR2F2 P24468 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10641570 0.90 MEN1 (0.71) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL28386372 0.87 MEN1 (0.66) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL17158253 0.83 ALDH1A1 (0.55) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL10676222 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9674431 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL28801777 0.81 ALDH1A1 (0.64) KMT2AALDH1A1LMNAHPGDTSHR
SCHEMBL10677970 0.81 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9674644 0.81 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9672977 0.81 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL10680557 0.81 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250725-A1 1,4-Dihydropyridine derivatives, processes for their preparation and medicaments containing them HEUMANN PHARMA GMBH & CO (DE) 1988-01-07 EP disclosed